UCSF

ZINC48767102

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.85 0.77 -16.17 2 6 0 85 286.353 7
Hi High (pH 8-9.5) 0.85 0.82 -54.37 1 6 -1 87 285.345 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )